[1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-3-yl]methanol

C9H12Cl2N4O — CID 60726769

IUPAC[1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-3-yl]methanol
SMILESOCC1CCCN(c2nc(Cl)nc(Cl)n2)C1
InChIInChI=1S/C9H12Cl2N4O/c10-7-12-8(11)14-9(13-7)15-3-1-2-6(4-15)5-16/h6,16H,1-5H2
InChIKeyINCACEKFHVFRQV-UHFFFAOYSA-N
MW263.13 g/mol
LogP1.39
Rot. Bonds2

About [1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-3-yl]methanol

[1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-3-yl]methanol (PubChem CID 60726769) has the molecular formula C9H12Cl2N4O and a molecular weight of 263.13 g/mol. Its IUPAC name is [1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-3-yl]methanol
PubChem CID60726769
Molecular FormulaC9H12Cl2N4O
Molecular Weight263.13 g/mol
Exact Mass262.04
IUPAC Name[1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-3-yl]methanol
SMILESOCC1CCCN(c2nc(Cl)nc(Cl)n2)C1
InChIInChI=1S/C9H12Cl2N4O/c10-7-12-8(11)14-9(13-7)15-3-1-2-6(4-15)5-16/h6,16H,1-5H2
InChIKeyINCACEKFHVFRQV-UHFFFAOYSA-N
XLogP1.39
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-3-yl]methanol?
The IUPAC name of [1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-3-yl]methanol (CID 60726769) is [1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-3-yl]methanol is OCC1CCCN(c2nc(Cl)nc(Cl)n2)C1.
What is the InChIKey of [1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-3-yl]methanol?
The InChIKey is INCACEKFHVFRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N4O/c10-7-12-8(11)14-9(13-7)15-3-1-2-6(4-15)5-16/h6,16H,1-5H2.
What are the key properties of [1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-3-yl]methanol?
[1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-3-yl]methanol has a molecular weight of 263.13 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 60726769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).